==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-FEB-07 2JFN . COMPND 2 MOLECULE: GLUTAMATE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.LUNDQVIST . 267 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 1 3 0 1 0 1 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 20 A P 0 0 105 0, 0.0 229,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 135.4 58.5 10.0 36.6 2 21 A R E -A 229 0A 78 227,-2.3 227,-2.2 1,-0.0 26,-0.1 -0.888 360.0 -72.1-129.9 160.6 56.6 13.1 35.3 3 22 A P E -A 228 0A 45 0, 0.0 26,-2.3 0, 0.0 2,-0.6 -0.234 48.6-124.5 -56.0 136.0 54.8 16.0 37.1 4 23 A T E -b 29 0B 1 223,-2.7 63,-2.8 24,-0.2 64,-1.3 -0.738 29.5-172.4 -86.6 121.2 51.6 15.1 38.7 5 24 A V E -bc 30 68B 0 24,-2.3 26,-2.5 -2,-0.6 2,-0.4 -0.965 10.2-153.2-120.6 127.4 48.6 17.1 37.6 6 25 A L E -bc 31 69B 1 62,-2.5 64,-2.9 -2,-0.5 2,-0.5 -0.822 5.9-168.7 -98.5 133.2 45.2 17.0 39.1 7 26 A V E -bc 32 70B 0 24,-2.6 26,-2.2 -2,-0.4 2,-0.3 -0.992 16.2-170.1-120.8 118.4 42.1 17.9 37.0 8 27 A F E +bc 33 71B 2 62,-3.1 64,-1.4 -2,-0.5 2,-0.3 -0.879 16.6 149.5-116.5 145.5 39.0 18.3 39.1 9 28 A D E -b 34 0B 0 24,-1.7 26,-1.4 -2,-0.3 64,-0.1 -0.962 53.2-111.9-159.0 165.7 35.3 18.7 38.4 10 29 A S S S- 0 0 0 -2,-0.3 29,-0.3 24,-0.2 28,-0.1 0.784 98.9 -21.6 -73.4 -27.7 31.9 17.8 39.9 11 30 A G S S- 0 0 2 23,-0.1 3,-0.4 22,-0.1 4,-0.1 -0.312 108.1 -35.8-146.2-129.3 31.4 15.3 37.1 12 31 A V S > S+ 0 0 1 1,-0.2 3,-2.0 2,-0.1 4,-0.4 0.633 105.1 87.9 -87.2 -14.8 32.5 14.5 33.6 13 32 A G T >> S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.8 0.834 76.8 68.6 -53.2 -35.1 32.9 18.1 32.3 14 33 A G H 3> S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.3 3,-0.5 0.798 86.7 69.7 -55.1 -28.9 36.5 18.1 33.6 15 34 A L H <> S+ 0 0 1 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.774 90.6 58.5 -62.4 -28.1 37.4 15.7 30.9 16 35 A S H <> S+ 0 0 16 -3,-1.9 4,-1.1 -4,-0.4 -1,-0.2 0.894 111.2 41.9 -69.3 -36.2 36.9 18.3 28.2 17 36 A V H X S+ 0 0 5 -4,-0.8 4,-2.2 -3,-0.5 -2,-0.2 0.906 114.2 51.3 -74.2 -43.1 39.6 20.4 29.8 18 37 A Y H X S+ 0 0 4 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.910 103.7 59.1 -59.6 -42.3 41.8 17.5 30.6 19 38 A D H X S+ 0 0 64 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.892 108.7 44.4 -54.9 -42.2 41.6 16.4 26.9 20 39 A E H X S+ 0 0 72 -4,-1.1 4,-1.3 -3,-0.2 -1,-0.2 0.898 113.7 50.6 -69.5 -42.1 43.0 19.8 25.8 21 40 A I H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 3,-0.5 0.941 111.0 46.9 -62.5 -47.4 45.7 19.6 28.5 22 41 A R H < S+ 0 0 77 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 105.6 60.0 -66.7 -27.7 46.9 16.1 27.6 23 42 A H H < S+ 0 0 160 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.862 116.2 34.5 -67.0 -32.1 46.9 17.0 23.9 24 43 A L H < S+ 0 0 83 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.825 134.8 25.8 -88.4 -36.9 49.5 19.7 24.8 25 44 A L S >< S+ 0 0 38 -4,-3.1 3,-0.9 -5,-0.2 -1,-0.2 -0.669 71.7 166.0-130.3 75.9 51.3 17.8 27.6 26 45 A P T 3 + 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.609 66.7 55.7 -67.2 -17.9 50.7 14.0 26.9 27 46 A D T 3 S+ 0 0 123 2,-0.1 -5,-0.1 -5,-0.0 -25,-0.0 0.421 76.8 116.9-101.8 4.6 53.3 12.5 29.2 28 47 A L S < S- 0 0 16 -3,-0.9 2,-1.1 1,-0.1 -24,-0.2 -0.128 75.0-107.6 -67.1 165.1 52.2 13.9 32.6 29 48 A H E -b 4 0B 0 -26,-2.3 -24,-2.3 203,-0.1 2,-0.3 -0.839 47.4-161.1 -94.1 99.1 51.0 11.8 35.5 30 49 A Y E -b 5 0B 1 -2,-1.1 204,-2.0 -26,-0.2 2,-0.5 -0.638 17.8-170.3 -90.6 141.5 47.3 12.8 35.4 31 50 A I E -bd 6 234B 0 -26,-2.5 -24,-2.6 -2,-0.3 2,-0.5 -0.998 6.7-164.2-125.9 122.9 44.9 12.3 38.2 32 51 A Y E -bd 7 235B 1 202,-2.4 204,-3.6 -2,-0.5 2,-0.4 -0.948 9.6-177.2-109.7 127.4 41.2 12.9 37.4 33 52 A A E -bd 8 236B 0 -26,-2.2 -24,-1.7 -2,-0.5 2,-0.4 -0.989 3.9-177.4-127.8 131.0 38.9 13.4 40.4 34 53 A F E -bd 9 237B 5 202,-2.3 2,-1.5 -2,-0.4 204,-0.7 -0.990 26.5-134.2-130.5 137.2 35.1 13.9 40.2 35 54 A D > + 0 0 0 -26,-1.4 4,-1.4 -2,-0.4 3,-0.5 -0.558 35.1 161.1 -87.6 74.9 32.7 14.5 43.1 36 55 A N T 4 S+ 0 0 38 -2,-1.5 -1,-0.2 1,-0.2 -26,-0.1 0.681 71.8 63.4 -68.6 -14.1 29.9 12.1 42.2 37 56 A V T 4 S+ 0 0 82 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.872 116.0 23.7 -77.1 -39.5 28.7 12.4 45.8 38 57 A A T 4 S+ 0 0 7 -3,-0.5 6,-0.2 -28,-0.1 -2,-0.2 0.430 93.0 158.0-108.8 -0.1 27.8 16.1 45.7 39 58 A F < + 0 0 40 -4,-1.4 2,-0.1 -29,-0.3 -28,-0.0 -0.450 47.9 56.8 -63.0 139.8 27.2 16.6 42.0 40 59 A P > + 0 0 35 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.468 57.1 176.3 -88.6 144.6 25.6 18.8 40.8 41 60 A Y T 4 + 0 0 0 1,-0.2 3,-0.1 2,-0.2 8,-0.1 0.753 67.3 82.9 -78.6 -26.8 27.4 21.9 42.3 42 61 A G T 4 S+ 0 0 13 1,-0.2 -1,-0.2 102,-0.1 -3,-0.1 0.814 99.2 37.3 -46.8 -37.8 25.2 24.3 40.4 43 62 A E T 4 S+ 0 0 142 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.814 97.6 102.9 -84.9 -35.2 22.5 24.1 43.1 44 63 A K S < S- 0 0 46 -4,-0.6 2,-0.1 -6,-0.2 -3,-0.0 0.024 79.9 -98.7 -53.0 153.0 24.8 23.8 46.1 45 64 A S > - 0 0 87 1,-0.1 4,-2.3 4,-0.0 3,-0.3 -0.460 27.7-126.4 -71.1 144.3 25.5 26.6 48.6 46 65 A E H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.862 109.3 58.1 -62.1 -36.2 28.8 28.4 47.9 47 66 A A H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.886 109.1 45.5 -61.2 -39.4 30.0 27.8 51.5 48 67 A F H > S+ 0 0 76 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.957 110.5 53.7 -67.2 -50.6 29.6 24.1 51.0 49 68 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.895 107.8 49.1 -51.3 -49.7 31.3 24.1 47.6 50 69 A V H X S+ 0 0 28 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.950 115.2 43.8 -58.0 -50.3 34.5 25.9 48.9 51 70 A E H X S+ 0 0 135 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.887 114.8 50.5 -61.6 -41.9 34.9 23.5 51.8 52 71 A R H X S+ 0 0 26 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.932 111.4 45.2 -64.1 -49.3 34.1 20.5 49.7 53 72 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.888 112.9 51.5 -65.1 -38.2 36.6 21.3 46.9 54 73 A V H X S+ 0 0 18 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.912 111.1 49.1 -63.9 -40.5 39.3 22.1 49.5 55 74 A A H X S+ 0 0 12 -4,-2.1 4,-2.1 -5,-0.2 210,-0.4 0.899 110.8 49.6 -66.5 -40.5 38.7 18.8 51.2 56 75 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.933 111.9 46.7 -65.9 -43.4 38.9 16.8 47.9 57 76 A V H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.868 110.7 54.9 -66.3 -32.8 42.2 18.5 46.8 58 77 A T H X S+ 0 0 34 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.928 109.2 46.9 -63.7 -43.6 43.5 17.8 50.3 59 78 A A H X S+ 0 0 11 -4,-2.1 4,-1.2 2,-0.2 3,-0.5 0.894 111.7 50.1 -66.2 -41.3 42.6 14.1 50.0 60 79 A V H >X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 3,-0.9 0.944 106.1 56.3 -62.5 -45.3 44.2 13.9 46.5 61 80 A Q H 3< S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.744 102.6 57.1 -57.0 -26.1 47.4 15.6 47.8 62 81 A E H 3< S+ 0 0 153 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.842 110.0 43.1 -74.8 -33.8 47.6 12.8 50.4 63 82 A R H << S+ 0 0 103 -4,-1.2 -2,-0.2 -3,-0.9 -1,-0.2 0.879 134.4 5.5 -77.4 -40.4 47.7 10.1 47.7 64 83 A Y S < S- 0 0 33 -4,-2.6 -1,-0.3 -5,-0.1 165,-0.1 -0.971 75.0-118.2-148.5 129.1 50.1 12.1 45.5 65 84 A P - 0 0 90 0, 0.0 2,-0.4 0, 0.0 -61,-0.2 -0.427 42.6-132.7 -61.4 142.1 52.0 15.3 46.0 66 85 A L - 0 0 4 1,-0.1 -61,-0.2 -63,-0.1 3,-0.1 -0.819 26.8-168.3-106.8 140.3 50.7 17.6 43.2 67 86 A A S S- 0 0 0 -63,-2.8 2,-0.3 1,-0.4 -62,-0.2 0.771 83.1 -13.0 -87.5 -30.0 52.7 19.8 40.8 68 87 A L E -c 5 0B 0 -64,-1.3 -62,-2.5 22,-0.2 -1,-0.4 -0.967 59.6-148.3-168.4 150.7 49.5 21.6 39.8 69 88 A A E -ce 6 92B 3 22,-1.9 24,-3.1 -2,-0.3 2,-0.5 -0.985 6.5-155.5-130.2 139.9 45.7 21.4 40.1 70 89 A V E -ce 7 93B 1 -64,-2.9 -62,-3.1 -2,-0.4 2,-1.5 -0.960 9.6-153.0-117.0 123.0 43.0 22.5 37.7 71 90 A V E -c 8 0B 4 22,-3.1 2,-2.1 -2,-0.5 24,-0.3 -0.715 19.7-178.1 -91.4 81.8 39.5 23.3 38.9 72 91 A A + 0 0 0 -2,-1.5 2,-0.3 -64,-1.4 -55,-0.2 -0.363 51.2 94.8 -81.8 58.6 38.0 22.4 35.5 73 92 A C >> - 0 0 0 -2,-2.1 4,-3.0 -64,-0.1 3,-1.1 -0.905 60.2-158.3-153.6 114.7 34.6 23.4 36.9 74 93 A N H 3> S+ 0 0 12 194,-2.9 4,-0.6 -2,-0.3 -1,-0.1 0.892 94.9 56.8 -63.0 -42.3 32.9 26.8 36.5 75 94 A T H 34 S+ 0 0 9 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.567 120.1 31.8 -67.8 -7.3 30.6 26.4 39.4 76 95 A A H <> S+ 0 0 0 -3,-1.1 4,-2.1 -5,-0.1 5,-0.2 0.718 102.7 73.2-117.3 -37.2 33.6 25.8 41.7 77 96 A S H >X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 3,-0.9 0.929 96.6 44.7 -44.1 -76.5 36.5 27.8 40.2 78 97 A T H >< S+ 0 0 26 -4,-0.6 3,-0.6 17,-0.5 -1,-0.2 0.876 120.6 37.2 -35.1 -71.7 35.5 31.4 41.2 79 98 A V H 34 S+ 0 0 31 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.711 121.6 45.8 -59.4 -25.1 34.4 30.7 44.8 80 99 A S H S+ 0 0 93 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.947 114.7 45.3 -55.4 -48.3 41.3 32.0 47.0 83 102 A A H > S+ 0 0 33 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.873 115.3 47.2 -62.6 -40.0 40.8 29.2 49.6 84 103 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.888 110.9 50.6 -70.1 -39.9 42.8 26.6 47.5 85 104 A R H < S+ 0 0 132 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.759 111.2 50.3 -71.0 -23.1 45.6 29.0 46.8 86 105 A E H < S+ 0 0 158 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.896 115.0 41.0 -79.8 -42.5 45.9 29.8 50.5 87 106 A K H < S+ 0 0 110 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.872 111.4 57.8 -75.9 -36.3 46.0 26.2 51.6 88 107 A F < - 0 0 6 -4,-2.4 4,-0.1 -5,-0.2 -30,-0.0 -0.660 60.5-150.2-104.3 155.2 48.3 24.7 48.9 89 108 A D S S+ 0 0 152 -2,-0.3 -4,-0.1 2,-0.1 -1,-0.1 -0.193 75.2 80.0-110.6 38.3 51.8 25.4 47.7 90 109 A F S S- 0 0 14 134,-0.1 -22,-0.2 -5,-0.0 -2,-0.1 -0.963 93.3 -88.1-136.5 149.9 51.3 24.3 44.1 91 110 A P - 0 0 14 0, 0.0 -22,-1.9 0, 0.0 2,-0.5 -0.302 37.9-152.9 -62.3 144.6 49.8 26.5 41.4 92 111 A V E -e 69 0B 8 -24,-0.2 2,-0.4 -4,-0.1 -22,-0.2 -0.982 2.8-152.6-121.6 128.6 46.0 26.2 41.0 93 112 A V E -e 70 0B 6 -24,-3.1 -22,-3.1 -2,-0.5 2,-0.2 -0.841 13.5-168.2-102.6 136.1 44.3 26.9 37.7 94 113 A G - 0 0 18 -2,-0.4 2,-0.4 -24,-0.2 -22,-0.1 -0.623 11.8-131.3-114.3 176.5 40.7 28.1 37.6 95 114 A V + 0 0 6 -22,-0.3 -17,-0.5 -24,-0.3 -18,-0.1 -0.996 20.8 172.7-135.9 133.9 38.1 28.5 34.8 96 115 A V - 0 0 49 -2,-0.4 89,-0.1 -19,-0.1 -22,-0.0 -0.966 50.0 -81.3-133.2 148.7 35.9 31.4 33.8 97 116 A P - 0 0 8 0, 0.0 2,-2.4 0, 0.0 3,-0.5 -0.236 44.2-116.6 -51.2 136.2 33.6 31.6 30.7 98 117 A A > + 0 0 9 85,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.189 68.5 135.7 -72.6 49.0 35.6 32.6 27.7 99 118 A I H > + 0 0 1 -2,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.899 61.8 61.6 -64.2 -41.6 33.7 35.8 27.2 100 119 A K H > S+ 0 0 113 -3,-0.5 4,-0.9 1,-0.2 3,-0.2 0.939 109.7 36.5 -53.8 -57.5 36.8 37.9 26.6 101 120 A P H >> S+ 0 0 59 0, 0.0 4,-0.7 0, 0.0 3,-0.5 0.881 113.8 58.4 -67.0 -32.1 38.0 36.1 23.4 102 121 A A H >X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 3,-0.8 0.871 101.1 56.5 -62.0 -36.3 34.4 35.6 22.2 103 122 A A H 3< S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.1 0.798 108.0 47.7 -65.4 -29.9 33.9 39.4 22.3 104 123 A R H << S+ 0 0 216 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.544 114.6 47.5 -87.0 -8.9 36.9 39.9 20.0 105 124 A L H << S+ 0 0 70 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.1 0.743 83.1 102.8-103.0 -29.3 35.7 37.2 17.6 106 125 A T < - 0 0 22 -4,-2.0 5,-0.1 1,-0.1 74,-0.0 -0.227 44.3-172.2 -58.5 143.2 32.0 38.0 17.1 107 126 A A S S+ 0 0 94 3,-0.2 -1,-0.1 1,-0.0 -4,-0.0 0.704 85.8 41.3-106.5 -31.9 31.1 39.7 13.8 108 127 A N S S- 0 0 44 2,-0.2 3,-0.1 28,-0.0 -2,-0.1 0.447 106.9-119.7 -96.3 -0.9 27.5 40.6 14.5 109 128 A G S S+ 0 0 22 1,-0.2 28,-2.3 27,-0.1 2,-0.7 0.546 76.4 121.9 76.2 6.1 28.1 41.7 18.1 110 129 A I E -g 137 0C 10 26,-0.2 69,-1.4 67,-0.2 70,-1.1 -0.890 38.0-179.5-106.1 108.4 25.8 39.0 19.5 111 130 A V E -gh 138 180C 1 26,-2.4 28,-2.7 -2,-0.7 2,-0.3 -0.921 11.5-153.5-112.1 127.2 27.6 36.7 21.9 112 131 A G E -gh 139 181C 0 68,-3.0 70,-3.4 -2,-0.5 2,-0.5 -0.706 1.3-155.9 -98.2 149.2 25.8 33.9 23.6 113 132 A L E -gh 140 182C 1 26,-2.8 28,-2.5 -2,-0.3 2,-0.6 -0.966 5.8-169.5-126.4 113.2 26.7 32.3 26.9 114 133 A L E +gh 141 183C 0 68,-2.8 70,-3.1 -2,-0.5 2,-0.3 -0.918 27.9 141.8-102.2 120.9 25.7 28.8 27.6 115 134 A A E -g 142 0C 0 26,-2.1 28,-3.1 -2,-0.6 70,-0.2 -0.875 53.7 -79.1-146.3 176.7 26.2 27.8 31.3 116 135 A T >> - 0 0 3 68,-0.4 4,-1.3 26,-0.3 3,-0.7 -0.416 51.7 -99.3 -79.6 163.4 24.5 25.8 34.0 117 136 A R T 34 S+ 0 0 161 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.858 121.9 48.1 -49.2 -44.5 21.6 27.4 35.8 118 137 A G T >4 S+ 0 0 6 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.798 105.2 58.1 -70.1 -29.7 23.7 28.4 38.8 119 138 A T G X4 S+ 0 0 5 -3,-0.7 3,-0.7 1,-0.2 6,-0.2 0.785 100.5 55.8 -71.8 -28.9 26.5 30.0 36.8 120 139 A V G 3< S+ 0 0 13 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.456 105.5 53.7 -83.3 -0.2 24.2 32.5 35.1 121 140 A K G < S+ 0 0 137 -3,-0.9 -1,-0.2 -4,-0.2 2,-0.2 0.396 85.7 109.0-110.9 -2.1 23.0 33.8 38.5 122 141 A R <> - 0 0 33 -3,-0.7 4,-1.8 -4,-0.2 3,-0.3 -0.530 65.9-141.6 -80.8 142.0 26.5 34.5 39.9 123 142 A S H > S+ 0 0 78 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.872 103.2 64.1 -66.8 -37.2 27.7 38.1 40.4 124 143 A Y H > S+ 0 0 92 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.864 106.4 45.2 -53.8 -37.8 31.2 36.9 39.2 125 144 A T H > S+ 0 0 6 -3,-0.3 4,-2.3 -6,-0.2 3,-0.3 0.993 109.1 50.8 -70.1 -63.7 29.5 36.2 35.8 126 145 A H H X S+ 0 0 91 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.804 112.4 51.5 -43.3 -37.0 27.5 39.4 35.4 127 146 A E H >X S+ 0 0 94 -4,-2.3 4,-2.2 2,-0.2 3,-1.2 0.949 106.4 49.9 -68.6 -51.4 30.7 41.3 36.1 128 147 A L H 3X S+ 0 0 18 -4,-1.7 4,-2.1 -3,-0.3 5,-0.3 0.864 105.3 60.5 -55.8 -36.9 32.9 39.6 33.6 129 148 A I H 3< S+ 0 0 26 -4,-2.3 4,-0.3 1,-0.2 -1,-0.3 0.799 111.1 39.2 -61.5 -30.2 30.2 40.2 31.0 130 149 A A H << S+ 0 0 67 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.762 112.8 56.7 -90.9 -28.3 30.6 44.0 31.6 131 150 A R H < S+ 0 0 151 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.920 125.4 13.3 -71.6 -46.9 34.4 43.9 31.9 132 151 A F S < S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.1 -3,-0.1 0.308 127.3 52.9-115.3 9.4 35.4 42.3 28.6 133 152 A A > + 0 0 5 -4,-0.3 3,-0.6 -5,-0.3 -1,-0.1 -0.204 60.9 122.7-137.3 45.5 32.1 42.5 26.6 134 153 A N T 3 S+ 0 0 143 1,-0.2 -1,-0.1 -3,-0.2 -4,-0.1 0.722 75.8 54.6 -78.5 -22.5 31.1 46.2 26.8 135 154 A E T 3 S+ 0 0 122 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.368 109.4 48.4 -93.7 4.9 31.1 46.5 23.0 136 155 A C S < S- 0 0 19 -3,-0.6 2,-0.5 -26,-0.0 -26,-0.2 -0.946 82.5-109.4-141.1 161.4 28.7 43.6 22.4 137 156 A Q E -g 110 0C 96 -28,-2.3 -26,-2.4 -2,-0.3 2,-0.5 -0.792 29.4-144.3 -95.7 132.7 25.4 42.2 23.6 138 157 A I E -g 111 0C 34 -2,-0.5 2,-0.7 -28,-0.2 -26,-0.2 -0.842 7.3-161.8-102.3 125.8 25.4 39.1 25.7 139 158 A E E -g 112 0C 60 -28,-2.7 -26,-2.8 -2,-0.5 2,-0.3 -0.907 16.8-158.8-104.7 107.3 22.6 36.5 25.5 140 159 A M E +g 113 0C 75 -2,-0.7 2,-0.3 -28,-0.2 -26,-0.2 -0.665 15.7 176.2 -90.5 143.7 22.7 34.3 28.6 141 160 A L E -g 114 0C 20 -28,-2.5 -26,-2.1 -2,-0.3 2,-0.5 -0.872 8.8-166.4-147.7 107.1 21.2 30.8 28.7 142 161 A G E +g 115 0C 20 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.3 -0.839 10.9 175.6 -98.6 129.9 21.6 28.7 31.8 143 162 A S > + 0 0 11 -28,-3.1 4,-0.9 -2,-0.5 3,-0.1 -0.873 24.9 177.0-141.6 109.5 20.7 25.0 31.6 144 163 A A H > S+ 0 0 53 -2,-0.4 4,-1.6 1,-0.2 5,-0.1 0.805 89.4 63.1 -73.6 -28.3 21.1 22.4 34.3 145 164 A E H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.868 96.7 55.6 -64.3 -36.7 19.5 19.9 31.9 146 165 A M H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 103.1 56.0 -65.1 -34.1 22.3 20.3 29.3 147 166 A V H X S+ 0 0 2 -4,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.932 108.2 48.3 -61.3 -43.5 24.7 19.3 32.1 148 167 A E H X S+ 0 0 92 -4,-1.6 4,-3.2 1,-0.2 -1,-0.2 0.845 106.5 56.0 -64.8 -35.7 22.7 16.1 32.5 149 168 A L H X S+ 0 0 23 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.915 109.1 47.6 -63.3 -40.3 22.7 15.5 28.8 150 169 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.924 112.1 49.2 -66.0 -44.9 26.5 15.6 28.9 151 170 A E H X S+ 0 0 18 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.964 111.8 49.4 -57.9 -51.4 26.6 13.3 31.9 152 171 A A H >X>S+ 0 0 26 -4,-3.2 5,-2.5 1,-0.2 3,-1.1 0.923 107.5 55.4 -53.3 -48.6 24.3 10.9 30.1 153 172 A K H ><5S+ 0 0 63 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.925 109.8 43.3 -52.8 -51.9 26.4 10.9 26.9 154 173 A L H 3<5S+ 0 0 15 -4,-2.1 -1,-0.3 1,-0.3 96,-0.3 0.574 108.7 61.0 -73.6 -6.9 29.6 9.9 28.7 155 174 A H H <<5S- 0 0 34 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.472 128.8 -94.1 -94.7 -3.2 27.6 7.3 30.6 156 175 A G T <<5S+ 0 0 61 -3,-1.5 2,-0.2 -4,-0.5 -3,-0.2 0.381 85.4 124.3 109.8 -4.1 26.6 5.6 27.4 157 176 A E < - 0 0 92 -5,-2.5 -1,-0.4 -6,-0.2 2,-0.3 -0.634 61.3-115.8 -90.4 149.8 23.3 7.2 26.6 158 177 A D - 0 0 161 -2,-0.2 2,-0.4 1,-0.1 -5,-0.1 -0.621 29.4-115.3 -84.6 141.0 22.5 8.9 23.3 159 178 A V - 0 0 21 -2,-0.3 2,-0.7 1,-0.1 3,-0.1 -0.626 23.0-130.0 -79.4 126.3 21.8 12.6 23.4 160 179 A S > - 0 0 57 -2,-0.4 4,-1.6 1,-0.2 3,-0.4 -0.660 12.8-160.9 -77.2 113.8 18.3 13.6 22.3 161 180 A L H > S+ 0 0 54 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.828 91.1 59.8 -64.6 -30.4 18.6 16.3 19.8 162 181 A D H > S+ 0 0 118 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.872 102.5 52.0 -65.2 -36.1 15.0 17.3 20.4 163 182 A A H > S+ 0 0 20 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.909 111.0 48.3 -65.2 -41.3 15.8 17.9 24.0 164 183 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.919 108.8 52.1 -64.1 -45.4 18.6 20.2 22.9 165 184 A K H < S+ 0 0 97 -4,-2.6 4,-0.3 1,-0.2 7,-0.2 0.873 109.9 50.6 -58.9 -38.0 16.4 22.1 20.4 166 185 A R H >< S+ 0 0 133 -4,-1.8 3,-1.1 2,-0.2 -1,-0.2 0.940 110.5 47.7 -65.5 -47.9 13.9 22.7 23.2 167 186 A I H 3< S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.905 118.9 41.1 -59.7 -41.0 16.6 24.0 25.5 168 187 A L T >X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-1.0 0.376 81.7 110.2 -89.4 5.3 17.9 26.3 22.7 169 188 A R H <> S+ 0 0 95 -3,-1.1 4,-1.4 -4,-0.3 -1,-0.2 0.887 71.7 60.1 -47.0 -47.8 14.4 27.2 21.5 170 189 A P H 34 S+ 0 0 72 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.887 111.6 40.0 -48.4 -45.2 14.9 30.8 22.7 171 190 A W H X4 S+ 0 0 8 -3,-1.0 3,-1.7 1,-0.2 -2,-0.2 0.866 110.0 57.4 -74.2 -38.4 17.9 31.3 20.5 172 191 A L H 3< S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.2 0.671 104.6 55.2 -67.4 -15.2 16.4 29.4 17.5 173 192 A R T 3< S+ 0 0 174 -4,-1.4 -1,-0.3 -3,-0.3 2,-0.2 0.359 85.3 110.5 -98.0 5.4 13.5 31.9 17.6 174 193 A M < - 0 0 56 -3,-1.7 -3,-0.0 -5,-0.2 0, 0.0 -0.571 67.2-139.9 -83.3 143.1 15.8 34.9 17.3 175 194 A K S S+ 0 0 206 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.952 103.7 17.2 -62.0 -49.3 15.9 37.1 14.2 176 195 A E S S- 0 0 103 -3,-0.1 -1,-0.3 -68,-0.0 3,-0.1 -0.824 86.3-164.8-127.0 91.4 19.6 37.3 14.6 177 196 A P - 0 0 31 0, 0.0 -67,-0.2 0, 0.0 -5,-0.1 -0.201 41.3 -72.9 -69.8 166.8 21.0 34.7 16.9 178 197 A P - 0 0 3 0, 0.0 -67,-0.2 0, 0.0 3,-0.1 -0.316 33.2-157.0 -59.0 140.2 24.5 34.9 18.4 179 198 A D S S+ 0 0 38 -69,-1.4 25,-2.5 1,-0.2 2,-0.4 0.551 84.9 46.5 -94.5 -6.6 27.2 34.2 15.9 180 199 A T E S-hi 111 204C 3 -70,-1.1 -68,-3.0 23,-0.2 2,-0.5 -0.993 70.8-166.8-135.9 124.9 29.5 33.2 18.7 181 200 A V E -hi 112 205C 1 23,-3.1 25,-2.7 -2,-0.4 2,-0.5 -0.957 9.9-149.3-120.0 122.0 28.6 31.0 21.6 182 201 A V E -hi 113 206C 0 -70,-3.4 -68,-2.8 -2,-0.5 2,-1.2 -0.732 9.4-144.2 -87.7 126.3 30.7 30.7 24.8 183 202 A L E +h 114 0C 5 23,-3.1 25,-0.4 -2,-0.5 -85,-0.3 -0.798 24.1 175.7 -91.3 98.2 30.5 27.3 26.5 184 203 A G + 0 0 0 -70,-3.1 -68,-0.4 -2,-1.2 2,-0.4 -0.006 59.8 69.1 -94.0 26.5 30.7 28.5 30.1 185 204 A C S > S- 0 0 0 -70,-0.2 3,-1.4 -71,-0.2 -112,-0.1 -0.971 77.7-139.1-142.0 124.8 30.3 25.0 31.6 186 205 A T T 3 S+ 0 0 9 82,-2.4 -170,-0.3 -2,-0.4 4,-0.3 0.654 102.6 64.1 -62.6 -12.4 33.1 22.5 31.2 187 206 A H T > S+ 0 0 0 1,-0.2 3,-0.9 2,-0.1 -1,-0.3 0.831 90.9 67.2 -76.4 -32.0 30.4 19.9 30.5 188 207 A F G X S+ 0 0 0 -3,-1.4 3,-2.8 1,-0.2 7,-0.2 0.839 84.9 62.9 -62.3 -40.2 29.3 21.6 27.3 189 208 A P G > S+ 0 0 22 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.824 95.0 66.9 -56.4 -25.5 32.3 21.1 25.0 190 209 A L G < S+ 0 0 17 -3,-0.9 3,-0.2 -4,-0.3 -2,-0.2 0.695 101.3 48.2 -65.2 -18.7 31.5 17.4 25.4 191 210 A L G <> S+ 0 0 0 -3,-2.8 4,-3.2 -4,-0.2 5,-0.3 0.168 74.7 120.6-105.9 14.5 28.3 18.1 23.4 192 211 A Q H <> S+ 0 0 90 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.898 74.7 48.2 -46.3 -52.1 30.0 20.1 20.7 193 212 A E H > S+ 0 0 142 -4,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.946 115.1 44.5 -56.2 -51.4 28.9 17.8 17.9 194 213 A E H >> S+ 0 0 23 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.898 112.7 52.2 -60.0 -43.6 25.3 17.8 19.1 195 214 A L H 3X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 3,-0.3 0.897 106.8 52.9 -61.0 -41.0 25.3 21.6 19.7 196 215 A L H 3< S+ 0 0 81 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.725 106.1 54.0 -68.9 -20.6 26.5 22.2 16.1 197 216 A Q H << S+ 0 0 118 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.795 118.2 34.7 -81.6 -28.3 23.7 20.1 14.7 198 217 A V H < S+ 0 0 13 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.1 0.831 100.7 83.7 -93.6 -39.4 21.1 22.2 16.5 199 218 A L S < S- 0 0 11 -4,-3.1 4,-0.1 -5,-0.2 3,-0.1 -0.322 94.2 -86.1 -68.6 149.2 22.5 25.7 16.5 200 219 A P > - 0 0 39 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.220 58.7 -85.6 -55.8 141.5 22.0 27.9 13.5 201 220 A E T 3 S+ 0 0 204 1,-0.2 3,-0.1 -3,-0.1 -4,-0.0 -0.051 113.4 28.7 -46.0 145.1 24.6 27.5 10.7 202 221 A G T 3 S+ 0 0 75 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.430 79.1 144.8 82.0 -1.7 27.8 29.5 11.2 203 222 A T < - 0 0 16 -3,-1.5 2,-0.5 -7,-0.1 -1,-0.3 -0.568 39.7-146.3 -73.5 128.9 27.7 29.6 15.0 204 223 A R E -i 180 0C 139 -25,-2.5 -23,-3.1 -2,-0.3 2,-0.4 -0.857 5.9-144.4-100.8 126.0 31.2 29.5 16.4 205 224 A L E -i 181 0C 28 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.717 16.8-171.5 -90.4 135.9 31.7 27.7 19.7 206 225 A V E +i 182 0C 15 -25,-2.7 -23,-3.1 -2,-0.4 2,-0.3 -0.991 11.3 160.2-129.3 131.3 34.3 29.1 22.1 207 226 A D - 0 0 45 -2,-0.4 4,-0.2 -25,-0.2 3,-0.1 -0.814 45.7-110.9-138.1-177.8 35.6 27.5 25.3 208 227 A S S > S+ 0 0 24 -25,-0.4 4,-2.2 -2,-0.3 5,-0.2 0.477 80.5 103.8 -95.8 -4.8 38.5 27.7 27.7 209 228 A G H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.868 82.7 38.4 -44.0 -64.7 40.1 24.3 27.0 210 229 A A H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.865 117.1 52.8 -60.9 -37.4 43.2 25.2 24.9 211 230 A A H > S+ 0 0 47 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.840 108.2 50.4 -67.7 -33.2 43.8 28.3 26.9 212 231 A I H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.892 108.8 52.7 -69.2 -41.0 43.8 26.3 30.1 213 232 A A H X S+ 0 0 2 -4,-2.1 4,-2.6 -5,-0.2 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